(2-chloranylpyridin-3-yl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranylpyridin-3-yl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-3-pyridyl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-3-pyridinyl)-[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloropyridin-3-yl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-3-pyridyl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C27H26ClN5O MolecularWeight: 471.98124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)C5=C(N=CC=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)C5=C(N=CC=C5)Cl

InChI

InChI=1S/C27H26ClN5O/c1-18-16-22-23(17-19(18)2)31-26(24(30-22)20-8-4-3-5-9-20)32-12-7-13-33(15-14-32)27(34)21-10-6-11-29-25(21)28/h3-6,8-11,16-17H,7,12-15H2,1-2H3